1H NMR study of fermented cocoa (Theobroma cacao L.) beans.

This study reports for the first time the metabolic profile of cocoa (Theobroma cacao L.) beans using the (1)H NMR technique applied to polar extracts of fermented cocoa beans. The simultaneous detection and quantification of amino acids, polyalcohols, organic acids, sugars, methylxanthines, catechins, and phenols were obtained by assigning the major signals of the spectra for different varieties of cocoa beans (Forastero, Criollo, and Trinitario) from different countries (Ecuador, Ghana, Grenada, and Trinidad). The data set obtained, representative of all classes of soluble compounds of cocoa, was useful to characterize the fermented cocoa beans as a function of the variety and geographic origin.

[1]  Ralph E Hurd,et al.  Gradient enhanced spectroscopy. , 1990, Journal of magnetic resonance.

[2]  I. Berregi,et al.  Quantitative determination of caffeine, formic acid, trigonelline and 5-(hydroxymethyl)furfural in soluble coffees by 1H NMR spectrometry. , 2010, Talanta.

[3]  I. Ogunlade,et al.  Effect of farm and industrial processing on the amino acid profile of cocoa beans , 2010 .

[4]  R. Lieberei,et al.  Differences between the content of phenolic compounds in Criollo, Forastero and Trinitario cocoa seed (Theobroma cacao L.) , 2009 .

[5]  D. Komes,et al.  Comparative study of commercially available cocoa products in terms of their bioactive composition , 2009 .

[6]  Y. Ozeki,et al.  Structural characterization of a procyanidin tetramer and pentamer from the apple by low-temperature NMR analysis , 2008 .

[7]  C. Risner Simultaneous determination of theobromine, (+)-catechin, caffeine, and (-)-epicatechin in standard reference material baking chocolate 2384, cocoa, cocoa beans, and cocoa butter. , 2008, Journal of chromatographic science.

[8]  Peter Schieberle,et al.  Changes in key aroma compounds of Criollo cocoa beans during roasting. , 2008, Journal of agricultural and food chemistry.

[9]  M. Arlorio,et al.  Roasting impact on the contents of clovamide (N-caffeoyl-L-DOPA) and the antioxidant activity of cocoa beans (Theobroma cacao L.) , 2008 .

[10]  Eiichiro Fukusaki,et al.  1H NMR based metabolic profiling in the evaluation of Japanese green tea quality. , 2007, Journal of agricultural and food chemistry.

[11]  G. Williamson,et al.  Rapid reversed phase ultra-performance liquid chromatography analysis of the major cocoa polyphenols and inter-relationships of their concentrations in chocolate. , 2007, Journal of agricultural and food chemistry.

[12]  A. Caligiani,et al.  Identification and quantification of the main organic components of vinegars by high resolution 1H NMR spectroscopy. , 2007, Analytica chimica acta.

[13]  M. Gallignani,et al.  Determination of theobromine, theophylline and caffeine in cocoa samples by a high-performance liquid chromatographic method with on-line sample cleanup in a switching-column system , 2007 .

[14]  A. Marsaioli,et al.  1H NMR, a rapid method to monitor organic acids during cupuassu (Theobroma grandiflorum Spreng) processing. , 2006, Journal of agricultural and food chemistry.

[15]  R. Prior,et al.  Procyanidin and catechin contents and antioxidant capacity of cocoa and chocolate products. , 2006, Journal of agricultural and food chemistry.

[16]  A. Segre,et al.  Metabolic profile of lettuce leaves by high‐field NMR spectra , 2005, Magnetic resonance in chemistry : MRC.

[17]  T. Hofmann,et al.  Isolation, structure determination, synthesis, and sensory activity of N-phenylpropenoyl-L-amino acids from cocoa (Theobroma cacao). , 2005, Journal of agricultural and food chemistry.

[18]  R. Lamanna,et al.  Proton high‐field NMR study of tomato juice , 2003 .

[19]  D. Curti,et al.  Cocoa bean carbohydrates: roasting-induced changes and polymer interactions , 2003 .

[20]  Ferran Sánchez-Rabaneda,et al.  Liquid chromatographic/electrospray ionization tandem mass spectrometric study of the phenolic composition of cocoa (Theobroma cacao). , 2003, Journal of mass spectrometry : JMS.

[21]  Márcia C C Veloso,et al.  Simultaneous determination of caffeine, theobromine, and theophylline by high-performance liquid chromatography. , 2002, Journal of chromatographic science.

[22]  J. Naik Improved high-performance liquid chromatography method to determine theobromine and caffeine in cocoa and cocoa products. , 2001 .

[23]  Elke Anklam,et al.  Review on polyphenols in Theobroma cacao: changes in composition during the manufacture of chocolate and methodology for identification and quantification , 2000 .

[24]  M. Natsume,et al.  Antioxidative Polyphenols Isolated from Theobroma cacao. , 1998, Journal of agricultural and food chemistry.

[25]  P. Rinaldi,et al.  The Utility of Pulsed-Field-Gradient HMBC for Organic Structure Determination , 1994 .

[26]  Wolfgang Bermel,et al.  Gradient selection in inverse heteronuclear correlation spectroscopy , 1993 .

[27]  Ray Freeman,et al.  Broadband heteronuclear decoupling , 1982 .